Pradimicin A pivaloyloxymethyl ester
TL;DR: Pradimicin A pivaloyloxymethyl ester (CAS 148763-58-0) is a chemical compound with molecular formula C46H54N2O20 and molecular weight 954.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[1,6,9,14-tetrahydroxy-5-[3-hydroxy-6-methyl-5-(methylamino)-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]propanoyloxymethyl 2,2-dimethylpropanoate
Also Known As: Pradimicin A pivaloyloxymethyl ester, D-Alanine, N-((5-((4,6-dideoxy-4-(methylamino)-3-O-beta-D-xylopyranosyl-beta-D-galactopyranosyl)oxy)-5,6,8,13-tetrahydro-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxobenzo(a)naphthacen-2-yl)carbonyl)-, (2,2-dimethyl-1-oxopropoxy)methyl ester, (5S-trans)-, 2-[[1,6,9,14-tetrahydroxy-5-[3-hydroxy-6-methyl-5-(methylamino)-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]propanoyloxymethyl 2,2-dimethylpropanoate, 5-{[4,6-Dideoxy-4-(methylamino)-3-O-pentopyranosylhexopyranosyl]oxy}-N-(1-{[(2,2-dimethylpropanoyl)oxy]methoxy}-1-oxopropan-2-yl)-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxo-5,6,8,13-tetrahydrobenzo[a]tetracene-2-carboximidic acid
| Molecular Formula | C46H54N2O20 |
|---|---|
| Molecular Weight | 954.33 g/mol |
| LogP | 0.39372 |
| Topological Polar Surface Area | 335.86 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 21 |
| Rotatable Bonds | 11 |
| Exact Mass | 954.32697 |
| Heavy Atoms | 68 |
| Complexity | 2538.5864 |
Chemical Identifiers
| CAS Number | 148763-58-0 |
|---|---|
| SMILES | CC1C(C(C(C(O1)OC2C(C3=CC4=C(C(=C3C5=C2C=C(C(=C5O)C(=O)NC(C)C(=O)OCOC(=O)C(C)(C)C)C)O)C(=O)C6=C(C4=O)C(=CC(=C6)OC)O)O)O)OC7C(C(C(CO7)O)O)O)NC |
Product Overview
Pradimicin A pivaloyloxymethyl ester (CAS 148763-58-0), with molecular formula C46H54N2O20 and molecular weight 954.33 g/mol. IUPAC: 2-[[1,6,9,14-tetrahydroxy-5-[3-hydroxy-6-methyl-5-(methylamino)-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]propanoyloxymethyl 2,2-dimethylpropanoate.
Chemical Property Profile of Pradimicin A pivaloyloxymethyl ester
Property Insights of Pradimicin A pivaloyloxymethyl ester
The XLogP value of 0.39372 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pradimicin A pivaloyloxymethyl ester. The TPSA of 335.86 Ų indicates high polarity, suggesting Pradimicin A pivaloyloxymethyl ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pradimicin A pivaloyloxymethyl ester has 10 hydrogen bond donor(s) and 21 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pradimicin A pivaloyloxymethyl ester?
The CAS number of Pradimicin A pivaloyloxymethyl ester is 148763-58-0.
What is the molecular formula of Pradimicin A pivaloyloxymethyl ester?
The molecular formula of Pradimicin A pivaloyloxymethyl ester is C46H54N2O20.
What is the molecular weight of Pradimicin A pivaloyloxymethyl ester?
The molecular weight of Pradimicin A pivaloyloxymethyl ester is 954.33 g/mol.
Where can I buy Pradimicin A pivaloyloxymethyl ester?
You can request a quote for Pradimicin A pivaloyloxymethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pradimicin A pivaloyloxymethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Pradimicin A pivaloyloxymethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.